Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7123717458f0ab5c713448cb83fc8911",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.201,
"b": 84.958,
"c": 87.971,
"alpha": 90.00,
"beta": 130.92,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.470,1.310],
"number_observations": 768230,
"number_observations_unique": 122146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 73.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.310],
"number_observations": 11615,
"number_observations_unique": 4401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.979
},
{
"type": "R(meas)",
"value": 1.190
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 18.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.566
}
]
},
{
"resolution_limits": [66.410,4.160],
"number_observations": 36694,
"number_observations_unique": 5362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 86.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}